Di-N-octylsecalonic acid A
Molecular Formula:
C46H58O14
InChI: InChI=1/C46H58O14/c1-5-7-9-11-13-15-21-57-43(55)45-35(29(47)23-25(3)41(45)53)39(51)33-31(59-45)19-17-27(37(33)49)28-18-20-32-34(38(28)50)40(52)36-30(48)24-26(4)42(54)46(36,60-32)44(56)58-22-16-14-12-10-8-6-2/h17-20,25-26,41-42,49-54H,5-16,21-24H2,1-4H3/t25-,26-,41+,42+,45u,46u/m1/s1
InChIKey: InChIKey=XGOCLYVULCACOE-LQHAUWFPBM
SMILES: CCCCCCCCOC(=O)C12C(C(CC(=O)C1=C(C3=C(O2)C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OCCCCCCCC)O)O)C)O
Names:
Di-N-octylsecalonic acid A
NSC268925
octyl (3R,4S)-4,8,9-trihydroxy-3-methyl-1-oxo-7-[(5S,6R)-1,5,9-trihydroxy-6-methyl-10a-octoxycarbonyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-3,4-dihydro-2H-xanthene-4a-carboxylate
Registries:
PubChem CID 5458525
PubChem ID 8140808
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